⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Diethyl Sulfide SCHEMBL5092086 | 0.94 | TSHR (0.33) | — | |
| Diethyl Sulfide SCHEMBL11391850 | 0.94 | — | — | |
| Diethyl Sulfide SCHEMBL1327 | 0.94 | — | — | |
| Diethyl Sulfide SCHEMBL9743857 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL869475 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL25414913 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL540234 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL15059287 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL8074340 | 0.89 | — | — | |
| Diethyl Sulfide SCHEMBL1422174 | 0.89 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658752-A | Deuterated 5-phenylpiperidine-2-ketone compound and application thereof | 阿斯诺来(上海)医药科技有限公司 | 2024-03-08 | — | — | CN | claimed |
| CN-114502560-A | Novel intermediate and preparation method and application thereof | 四川大学 | 2022-05-13 | — | — | CN | claimed |
| CN-118165576-B | Black water-based ink with insulating effect and preparation method thereof | 上海高邦印刷材料有限公司 | 2024-09-06 | — | — | CN | disclosed |
| CN-118165576-A | Black water-based ink with insulating effect and preparation method thereof | 上海高邦印刷材料有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-117658752-A | Deuterated 5-phenylpiperidine-2-ketone compound and application thereof | 阿斯诺来(上海)医药科技有限公司 | 2024-03-08 | — | — | CN | disclosed |
| WO-2022210295-A1 | PHOSPHOROUS ESTER COMPOUND, METHOD FOR PRODUCING SAME, AND USE APPLICATION FOR SAME | 住友化学株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-114502560-A | Novel intermediate and preparation method and application thereof | 四川大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-114105875-A | Synthesis method of morphine derivative dihydroetorphine | 四川大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-113956263-A | Synthesis method of morphine derivative buprenorphine | 四川大学 | 2022-01-21 | — | — | CN | disclosed |
| CN-113939509-A | Novel heteroaryl substituted aminoalkylazole compounds as pesticides | 拜耳动物保健有限责任公司 | 2022-01-14 | — | — | CN | disclosed |
| EP-3212622-B1 | BENZYLHYDROXYDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2018-09-26 | — | — | EP | disclosed |
| EP-0595458-A1 | Novel thiomarinol derivatives, and processes for their preparation | SANKYO COMPANY LIMITED (JP) | 1994-05-04 | — | — | EP | disclosed |
| EP-0004773-B1 | 17-BETA-THIOCARBOXYLIC ACID ESTERS OF 4-HALO-3-OXOANDROST-4-ENES, THEIR PHARMACEUTICAL USE AND PROCESSES FOR THEIR PREPARATION | SYNTEX (U.S.A.) INC. (US) | 1981-04-29 | — | — | EP | disclosed |
| EP-0004741-B1 | THIO ETIANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1981-01-28 | — | — | EP | disclosed |
| US-4198403-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4188385-A | ANTIINFLAMMATORY STERIODS | SYNTEX (U.S.A.) INC. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4187301-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1980-02-05 | — | — | US | disclosed |
| EP-0004741-A2 | Thio etianic acid derivatives, their preparation and pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1979-10-17 | — | — | EP | disclosed |
| EP-0004773-A2 | 17-Beta-thiocarboxylic acid esters of 4-halo-3-oxoandrost-4-enes, their pharmaceutical use and processes for their preparation | SYNTEX (U.S.A.) INC. (US) | 1979-10-17 | — | — | EP | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |